2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane

C18H20N2 — CID 151588176

IUPAC2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane
SMILESc1ccc(-c2ccccc2N2CC3CCN2CC3)cc1
InChIInChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)20-14-15-10-12-19(20)13-11-15/h1-9,15H,10-14H2
InChIKeyQHXZIDNPSAWXKS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.80
Rot. Bonds2

About 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane

2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane (PubChem CID 151588176) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane
PubChem CID151588176
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane
SMILESc1ccc(-c2ccccc2N2CC3CCN2CC3)cc1
InChIInChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)20-14-15-10-12-19(20)13-11-15/h1-9,15H,10-14H2
InChIKeyQHXZIDNPSAWXKS-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151381048
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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane (CID 151588176) is 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane is c1ccc(-c2ccccc2N2CC3CCN2CC3)cc1.
What is the InChIKey of 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane?
The InChIKey is QHXZIDNPSAWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)20-14-15-10-12-19(20)13-11-15/h1-9,15H,10-14H2.
What are the key properties of 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane?
2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane has a molecular weight of 264.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 151588176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).